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author | Todd Gamblin <tgamblin@llnl.gov> | 2022-07-30 15:19:18 -0700 |
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committer | Todd Gamblin <tgamblin@llnl.gov> | 2022-07-31 13:29:20 -0700 |
commit | f52f6e99dbf1131886a80112b8c79dfc414afb7c (patch) | |
tree | 05cb7d64b2395922f2f24683da49f472075be12c /var/spack/repos/builtin/packages/gromacs-swaxs/package.py | |
parent | 549ba1ed32372c67fc57271cde3797d58b7dec6e (diff) | |
download | spack-f52f6e99dbf1131886a80112b8c79dfc414afb7c.tar.gz spack-f52f6e99dbf1131886a80112b8c79dfc414afb7c.tar.bz2 spack-f52f6e99dbf1131886a80112b8c79dfc414afb7c.tar.xz spack-f52f6e99dbf1131886a80112b8c79dfc414afb7c.zip |
black: reformat entire repository with black
Diffstat (limited to 'var/spack/repos/builtin/packages/gromacs-swaxs/package.py')
-rw-r--r-- | var/spack/repos/builtin/packages/gromacs-swaxs/package.py | 191 |
1 files changed, 126 insertions, 65 deletions
diff --git a/var/spack/repos/builtin/packages/gromacs-swaxs/package.py b/var/spack/repos/builtin/packages/gromacs-swaxs/package.py index f520d07136..f807443086 100644 --- a/var/spack/repos/builtin/packages/gromacs-swaxs/package.py +++ b/var/spack/repos/builtin/packages/gromacs-swaxs/package.py @@ -10,71 +10,132 @@ from spack.pkg.builtin.gromacs import Gromacs class GromacsSwaxs(Gromacs): """Modified Gromacs for small-angle scattering calculations (SAXS/WAXS/SANS)""" - homepage = 'https://biophys.uni-saarland.de/swaxs.html' - url = 'https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2019.swaxs-0.1/gromacs-swaxs-release-2019.swaxs-0.1.tar.bz2' - git = 'https://gitlab.com/cbjh/gromacs-swaxs.git' - maintainers = ['w8jcik'] - - version('2021.5-0.4', sha256='9f8ed6d448a04789d45e847cbbc706a07130377f578388220a9d5357fae9d1c3', - url='https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2021.swaxs-0.4/gromacs-swaxs-release-2021.swaxs-0.4.tar.bz2') - - version('2021.5-0.3', sha256='e05ea76610657e52e8293abff53ee9f16f4cffa508074e1e10132ed5fba97881', - url='https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2021.swaxs-0.3/gromacs-swaxs-release-2021.swaxs-0.3.tar.bz2') - - version('2021.4-0.2', sha256='ea0dbe868d20e05c8fca337e0dddc16116a83fa7a6ac3a924942e9d00952ed62', - url='https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2021.swaxs-0.2/gromacs-swaxs-release-2021.swaxs-0.2.tar.bz2') - - version('2021.4-0.1', sha256='eda1c8a7aae6001ef40480addf9fff9cdccc7e2b80480e36d069f50d6f2be26e', deprecated=True, - url='https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2021.swaxs-0.1/gromacs-swaxs-release-2021.swaxs-0.1.tar.bz2') - - version('2020.7-0.4', sha256='3eb0975ec92a89f6a3be548896307376974805ac685a9f776b0131a449a6b8a4', - url='https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2020.swaxs-0.4/gromacs-swaxs-release-2020.swaxs-0.4.tar.bz2') - - version('2020.7-0.3', sha256='eb5902df079b8f86c56b62be695c0d17307c195b2cdd7cefb7e117466be83211', - url='https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2020.swaxs-0.3/gromacs-swaxs-release-2020.swaxs-0.3.tar.bz2') - - version('2020.6-0.2', sha256='c22a7c6a0ee54eee1b3e224530f65e6f976a7aca5dc0f5ea22b2935a5a4357e9', - url='https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2020.swaxs-0.2/gromacs-swaxs-release-2020.swaxs-0.2.tar.bz2') - - version('2020.6-0.1', sha256='3d8360a3cc9144772786bddaa11e3dbc37d6a466b99f3314bf3928261c2fddcf', deprecated=True, - url='https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2020.swaxs-0.1/gromacs-swaxs-release-2020.swaxs-0.1.tar.bz2') - - version('2019.6-0.3', sha256='1cf81592813333954bb1051321543f211d81f120a821a0c9386081e4cd367e84', - url='https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2019.swaxs-0.3/gromacs-swaxs-release-2019.swaxs-0.3.tar.bz2') - - version('2019.6-0.2', sha256='a45eeee3983a4443d3a40ea417770f3abd93f43eb80e021fd9d6830e414565cb', deprecated=True, - url='https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2019.swaxs-0.2/gromacs-swaxs-release-2019.swaxs-0.2.tar.bz2') - - version('2019.6-0.1', sha256='91da09eed80646d6a1c500be78891bef22623a19795a9bc89adf9f2ec4f85635', - url='https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2019.swaxs-0.1/gromacs-swaxs-release-2019.swaxs-0.1.tar.bz2') - - version('2018.8-0.4', sha256='465bbd234b6805209cf39c6bfa4f482c367b947742bb2b9a3d535d362f254dcb', - url='https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2018.swaxs-0.4/gromacs-swaxs-release-2018.swaxs-0.4.tar.bz2') - - version('2018.8-0.3', sha256='5e94d636fda28e81ff1f3cff2c9f6e7f458bf496f4d1ed7bc10e911bd98b303c', deprecated=True, - url='https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2018.swaxs-0.3/gromacs-swaxs-release-2018.swaxs-0.3.tar.bz2') - - version('2018.8-0.2', sha256='f8bf0d363334a9117a2a8deb690dadaa826b73b57a761949c7846a13b84b5af5', - url='https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2018.swaxs-0.2/gromacs-swaxs-release-2018.swaxs-0.2.tar.bz2') - - version('2018.8-0.1', sha256='478f45286dfedb8f01c2d5bf0773a391c2de2baf85283ef683e911bc43e24675', - url='https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2018.swaxs-0.1/gromacs-swaxs-release-2018.swaxs-0.1.tar.bz2') - - version('2016.6-0.1', sha256='11e8ae6b3141f356bae72b595737a1f253b878d313169703ba33a69ded01a04e', - url='https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2016.swaxs-0.1/gromacs-swaxs-release-2016.swaxs-0.1.tar.bz2') - - version('5.1.5-0.3', sha256='a9e8382eec3cc0d943e1869f13945ea4a971a95a70eb314c1f26a17fa7d03792', - url='https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-5-1.swaxs-0.3/gromacs-swaxs-release-5-1.swaxs-0.3.tar.bz2') - - version('5.0.7-0.5', sha256='7f7f69726472a641a5443f1993a6e1fb8cfa9c74aeaf46e8c5d1db37005ece79', - url='https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-5-0.swaxs-0.5/gromacs-swaxs-release-5-0.swaxs-0.5.tar.bz2') - - version('4.6.7-0.8', sha256='1cfa34fe9ff543b665cd556f3395a9aa67f916110ba70255c97389eafe8315a2', - url='https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-4-6.swaxs-0.8/gromacs-swaxs-release-4-6.swaxs-0.8.tar.bz2') - - conflicts('+plumed') - conflicts('+opencl') - conflicts('+sycl') + homepage = "https://biophys.uni-saarland.de/swaxs.html" + url = "https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2019.swaxs-0.1/gromacs-swaxs-release-2019.swaxs-0.1.tar.bz2" + git = "https://gitlab.com/cbjh/gromacs-swaxs.git" + maintainers = ["w8jcik"] + + version( + "2021.5-0.4", + sha256="9f8ed6d448a04789d45e847cbbc706a07130377f578388220a9d5357fae9d1c3", + url="https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2021.swaxs-0.4/gromacs-swaxs-release-2021.swaxs-0.4.tar.bz2", + ) + + version( + "2021.5-0.3", + sha256="e05ea76610657e52e8293abff53ee9f16f4cffa508074e1e10132ed5fba97881", + url="https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2021.swaxs-0.3/gromacs-swaxs-release-2021.swaxs-0.3.tar.bz2", + ) + + version( + "2021.4-0.2", + sha256="ea0dbe868d20e05c8fca337e0dddc16116a83fa7a6ac3a924942e9d00952ed62", + url="https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2021.swaxs-0.2/gromacs-swaxs-release-2021.swaxs-0.2.tar.bz2", + ) + + version( + "2021.4-0.1", + sha256="eda1c8a7aae6001ef40480addf9fff9cdccc7e2b80480e36d069f50d6f2be26e", + deprecated=True, + url="https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2021.swaxs-0.1/gromacs-swaxs-release-2021.swaxs-0.1.tar.bz2", + ) + + version( + "2020.7-0.4", + sha256="3eb0975ec92a89f6a3be548896307376974805ac685a9f776b0131a449a6b8a4", + url="https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2020.swaxs-0.4/gromacs-swaxs-release-2020.swaxs-0.4.tar.bz2", + ) + + version( + "2020.7-0.3", + sha256="eb5902df079b8f86c56b62be695c0d17307c195b2cdd7cefb7e117466be83211", + url="https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2020.swaxs-0.3/gromacs-swaxs-release-2020.swaxs-0.3.tar.bz2", + ) + + version( + "2020.6-0.2", + sha256="c22a7c6a0ee54eee1b3e224530f65e6f976a7aca5dc0f5ea22b2935a5a4357e9", + url="https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2020.swaxs-0.2/gromacs-swaxs-release-2020.swaxs-0.2.tar.bz2", + ) + + version( + "2020.6-0.1", + sha256="3d8360a3cc9144772786bddaa11e3dbc37d6a466b99f3314bf3928261c2fddcf", + deprecated=True, + url="https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2020.swaxs-0.1/gromacs-swaxs-release-2020.swaxs-0.1.tar.bz2", + ) + + version( + "2019.6-0.3", + sha256="1cf81592813333954bb1051321543f211d81f120a821a0c9386081e4cd367e84", + url="https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2019.swaxs-0.3/gromacs-swaxs-release-2019.swaxs-0.3.tar.bz2", + ) + + version( + "2019.6-0.2", + sha256="a45eeee3983a4443d3a40ea417770f3abd93f43eb80e021fd9d6830e414565cb", + deprecated=True, + url="https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2019.swaxs-0.2/gromacs-swaxs-release-2019.swaxs-0.2.tar.bz2", + ) + + version( + "2019.6-0.1", + sha256="91da09eed80646d6a1c500be78891bef22623a19795a9bc89adf9f2ec4f85635", + url="https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2019.swaxs-0.1/gromacs-swaxs-release-2019.swaxs-0.1.tar.bz2", + ) + + version( + "2018.8-0.4", + sha256="465bbd234b6805209cf39c6bfa4f482c367b947742bb2b9a3d535d362f254dcb", + url="https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2018.swaxs-0.4/gromacs-swaxs-release-2018.swaxs-0.4.tar.bz2", + ) + + version( + "2018.8-0.3", + sha256="5e94d636fda28e81ff1f3cff2c9f6e7f458bf496f4d1ed7bc10e911bd98b303c", + deprecated=True, + url="https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2018.swaxs-0.3/gromacs-swaxs-release-2018.swaxs-0.3.tar.bz2", + ) + + version( + "2018.8-0.2", + sha256="f8bf0d363334a9117a2a8deb690dadaa826b73b57a761949c7846a13b84b5af5", + url="https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2018.swaxs-0.2/gromacs-swaxs-release-2018.swaxs-0.2.tar.bz2", + ) + + version( + "2018.8-0.1", + sha256="478f45286dfedb8f01c2d5bf0773a391c2de2baf85283ef683e911bc43e24675", + url="https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2018.swaxs-0.1/gromacs-swaxs-release-2018.swaxs-0.1.tar.bz2", + ) + + version( + "2016.6-0.1", + sha256="11e8ae6b3141f356bae72b595737a1f253b878d313169703ba33a69ded01a04e", + url="https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2016.swaxs-0.1/gromacs-swaxs-release-2016.swaxs-0.1.tar.bz2", + ) + + version( + "5.1.5-0.3", + sha256="a9e8382eec3cc0d943e1869f13945ea4a971a95a70eb314c1f26a17fa7d03792", + url="https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-5-1.swaxs-0.3/gromacs-swaxs-release-5-1.swaxs-0.3.tar.bz2", + ) + + version( + "5.0.7-0.5", + sha256="7f7f69726472a641a5443f1993a6e1fb8cfa9c74aeaf46e8c5d1db37005ece79", + url="https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-5-0.swaxs-0.5/gromacs-swaxs-release-5-0.swaxs-0.5.tar.bz2", + ) + + version( + "4.6.7-0.8", + sha256="1cfa34fe9ff543b665cd556f3395a9aa67f916110ba70255c97389eafe8315a2", + url="https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-4-6.swaxs-0.8/gromacs-swaxs-release-4-6.swaxs-0.8.tar.bz2", + ) + + conflicts("+plumed") + conflicts("+opencl") + conflicts("+sycl") def remove_parent_versions(self): """ |